Vitas-M small molecule compound
7-({1-[(1R,4aS,8aS)-1-(4-chlorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-1-oxopropan-2-yl}oxy)-3,4-dimethyl-2H-chromen-2-one
Catalog ID
STL532149
SMILES Clc1ccc(cc1)[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)C(=O)C(Oc1ccc2c(c1)oc(=O)c(c2C)C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C29H32ClNO5 MW 510.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32ClNO5/c1-17-18(2)28(33)36-25-16-22(11-12-23(17)25)35-19(3)27(32)31-15-14-29(34)13-5-4-6-24(29)26(31)20-7-9-21(30)10-8-20/h7-12,16,19,24,26,34H,4-6,13-15H2,1-3H3/t19?,24-,26-,29-/m0/s1InChIKey
FUEHGLSSTSRIJU-GPTLHFILSA-NSynonyms
956995-23-616403504
7((1((1R)1(4chlorophenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)1oxopropan2yl)oxy)34dimethyl2Hchromen2one
7((1((1R4aS8aS)1(4chlorophenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)1oxopropan2yl)oxy)34dimethyl2Hchromen2one
7(1((1~(R)4~(a)~(S)8~(a)~(S))1(4chlorophenyl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)1oxopropan2yl)oxy34dimethylchromen2one
956995236
Clc1ccc(cc1)(C@@H)1N(CCC2(C1CCCC2)O)C(=O)C(Oc1ccc2c(c1)oc(=O)c(c2C)C)C
InChI=1SC29H32ClNO5c11718(2)28(33)36251622(111223(17)25)3519(3)27(32)31151429(34)1354624(29)26(31)207921(30)10820h7121619242634H461315H213H3t19?242629m0s1
MFCD06495934
ZINC000008789873
ZINC000008789874
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